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MS Identifications→Context→Algorithms→Retention Time Alignment
to display settings dialogOk
buttonOn top of the dialog, are displayed the following information:
Retention time panel
Duration (min)
: analysis time in minutesDelay (min)
: delay in minutesOutliers panel
Don't take into account outliers
: check this box if you want the algorithm to skip species with predicted retention time far from the others.Deviation threshold (%)
: if the above checkbox is selected, enter a thresh expressed in percentage. 100% represents the average absolute deviation (between RT & predicted RT). For example, a value of 200% means that species with predicted RT far about 200% from the average deviation are excluded from the calculation.Grouping method panel
Average
: average the RT values to compute the representative RT value of a species groupMedian
: use median to compute the representative RT value of a species groupCross-product
: use cross-product to compute the representative RT values of a species groupCombined
: use median & cross-product to compute the representative RT value of a species groupBest score
: use average to compute the representative RT value of a species groupPerformance panel
Use memory tuning
: if NOT selected, the process will be faster but memory consuming. If selected, the process will be a little bit slower but memory efficient.
When alignment process is finished, the following dialog message appears:
Each aligned identification has two new properties):
a
: slope of the linear regressionb
: intercept of the linear regressionreference
: reference user context (not yet available)